How to build a virtual crystal model of two materials layered together

[YuLin Elias]

I want to build a crystal model of two materials, the upper part is equiaxed crystal, which is one material, such as stainless steel, and the lower part is columnar crystal, which is another material, such as nickel. I want to use EBSD data to build this model. How can I do it? This is my first time using this software, and I have no idea what to do. Please give me an example and related guidance documents.

[Michael Jackson]

1. Do you want to make synthetic microstructures and “glue” them together? 
2. Or do you want to read in EBSD, compute statistics from that EBSD data and then use those statistics to generate a pair of synthetic microstructure.
   

You should start out doing #1 just to get an idea of the process. Generate 2 separate microstructures, then you can use the “Append Z Slice” to “glue” them together. I have included a sample pipeline that does #1 above. Please take a look and try to understand the pipeline.

--
Mike Jackson                    mike.j...@bluequartz.net
BlueQuartz Software         www.bluequartz.net

President/Owner               Dayton, Ohio

Principal DREAM.3D Developer

On Nov 18, 2024 at 20:02:01, YuLin Elias <elias...@gmail.com> wrote:

I want to build a crystal model of two materials, the upper part is equiaxed crystal, which is one material, such as stainless steel, and the lower part is columnar crystal, which is another material, such as nickel. I want to use EBSD data to build this model. How can I do it? This is my first time using this software, and I have no idea what to do. Please give me an example and related guidance documents.

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[Michael Jackson]

uDear YuLin Elias, 

    DREAM.3D Version 6.x does not have the capability to generate 3D from 2D statistics. I have heard of folks in the community figuring out how to do this on their own but nothing has been passed back to the community or papers written.

There is a collection of prebuilt pipelines in DREAM3D that you can use to reconstruct the Small IN100 data set all the way through to using those statistics to generate a synthetic microstructure. The shows what could be possible. 

The issue that you are going to have is that you want to build a “graded” microstructure or a microstructure where all the small grains are physically located in one section of the virtual volume. DREAM.3D version 6.x does not have this capability. The best you could probably do is to create 2 separate volumes, glue them together and then run the “Pott’s Model” filter to try and make the interface between the 2 volumes more realistic.

Modeling AM build microstructures is an active area of interest of the DREAM3D engineering team but to date we have not received enough funding to make this a reality.

--
Mike Jackson                    mike.j...@bluequartz.net
BlueQuartz Software         www.bluequartz.net

President/Owner               Dayton, Ohio

Principal DREAM.3D Developer

On Nov 20, 2024 at 02:26:09, YuLin Elias <elias...@gmail.com> wrote:

Thank you for your reply. 

I think I am more inclined to the second situation you mentioned: read in EBSD, compute statistics from that EBSD data and then use those statistics to generate a pair of synthetic microstructure.

I want to know how to count the ebsd data containing equiaxed crystals at the bottom and columnar crystals at the top and generate virtual 3D data from them. In fact, this structure is a typical feature of metal additive manufacturing, but the columnar crystals and equiaxed crystals in the virtual model I want to build are two materials. In other words, I additively manufactured another material on one material to generate this structure.

Another question is, my EBSD is two-dimensional data. Can I generate a three-dimensional virtual model through Dream3D statistics?

Michael Jackson <mike.j...@bluequartz.net> 于2024年11月20日周三 08:16写道：

[YuLin Elias]

Thanks for your advice. 

Michael Jackson <mike.j...@bluequartz.net> 于2024年11月21日周四 10:33写道：

[YuLin Elias]

I am trying to directly build executable files for Abaqus and DAMASK using EBSD data, but some options are unavailable in DREAM3D 7. Could you please help me check the errors in the pipeline and explain why they are occurring? I have already uploaded the EBSD data and the pipeline file.

Thank you very much.

[Michael Jackson]

Hello, 

     The error in your pipeline is in filter #3. The setting should be “Quaternions” as in this picture:

--
Mike Jackson                    mike.j...@bluequartz.net
BlueQuartz Software         www.bluequartz.net

President/Owner               Dayton, Ohio

Principal DREAM.3D Developer

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[YuLin Elias]

Dear Michael Jackson
Thank you for pointing out the issues. I have completed the pipeline construction, but there are a few minor problems: As shown in the image, I'm not sure if I've selected the correct option in the Phase section of filter 9#. The rightmost phase option is unavailable; in fact, only Neighborlist or NumNeighborlist can be selected.  Additionally, the Issues section shows some warnings; I don't know if they will affect my results or how to resolve them.

[YuLin Elias]

Hello, I have another question: When creating a model of hexagonal close-packed titanium, I need to identify and extract the twin boundaries so that they are represented in the model. I added a filter to calculate the twin boundaries, but it requires a face label. I couldn't find how to add a face label. Could you please help me? Thank you very much!

在2026年1月22日星期四 UTC+8 06:20:20<Michael Jackson> 写道：

[YuLin Elias]

Dear Michael Jackson, following our discussion, this pipeline is now working successfully. I would like to address another issue: as shown in the image, the model has a thickness in the z-direction even though I set the thickness to zero. I would like the generated model to have no thickness, so that the exported FEA file opens as a purely two-dimensional model.  Could you please advise me on how to achieve this?

[Michael Jackson]

Hello,

     You can further process the mesh in DREAM3D-NX to remove the “thickness” of the mesh. I have attached the necessary pipeline. There are several initial filters in the pipeline where I just read in an existing Image Geometry from a file and create the surface mesh. Those are filters 1, 2 and 3. 

You can now pick up at filter #4 “Compute Triangle Centroids” and copy all filters from filter #4 to the end into your own pipeline. You will need to adjust the input values for your data.

## Pipeline Description

Since the mesh in DREAM3D-NX is created from the voxel based Image Geometry, the bottom layer of the mesh will sit at what ever the origin of the input Image Geometry happens to be. In the case of the example pipeline I specifically set the origin of the image geometry to 0,0,0 just after I read it into DREAM3D-NX. We can use this fact to generate a mask based on the centroids of the triangles. Any triangle “above” the bottom layer will have a z component of the centroid that is greater than zero (0.0). Once we have the mask we then use the “Remove Flagged Triangles” filter to remove those triangles and create a new mesh. Lastly we write out the nodes and elements and element data into CSV files that any FEA program should be able to import.

I hope this helps you with your data processing.

--
Mike Jackson                    mike.j...@bluequartz.net
BlueQuartz Software         www.bluequartz.net

President/Owner               Dayton, Ohio

Principal DREAM.3D Developer

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